Information card for entry 4078071

Structure parameters

• Formula: C35 H24 B F10 Rh S
• Calculated formula: C35 H24 B F10 Rh S
• SMILES: [Rh]12345([S](C[B]([C]2#[C]1c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)[CH]1=[CH]3CC[CH]4=[CH]5CC1
• Title of publication: Ruthenium and Rhodium Complexes of Thioether-Alkynylborates
• Authors of publication: Dahcheh, Fatme; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3222
• a: 8.6116 ± 0.0004 Å
• b: 18.3794 ± 0.0011 Å
• c: 19.3884 ± 0.0012 Å
• α: 90°
• β: 91.026 ± 0.002°
• γ: 90°
• Cell volume: 3068.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No